#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x58 s SER 2 N 0.00 -0.31 1.02 1.61 1.04 -1.26 -5.13 113.70 110.67 1x58 s SER 2 Ca 0.00 -1.60 -0.12 0.00 0.48 0.00 0.00 55.95 54.71 1x58 s SER 2 Cb 0.00 1.21 0.20 0.00 0.10 0.00 0.00 66.02 67.53 1x58 s SER 2 CO 0.00 -0.16 1.07 -0.44 0.98 0.00 0.00 173.24 174.69 1x58 s SER 3 N 1.21 2.29 0.00 7.02 0.01 -1.26 -4.70 113.70 118.28 1x58 s SER 3 Ca 0.22 1.47 0.00 0.00 1.31 0.00 0.00 55.95 58.96 1x58 s SER 3 Cb -0.05 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1x58 s SER 3 CO -0.07 -3.38 0.00 0.61 0.41 0.00 0.00 173.24 170.82 1x58 n GLY 4 N -0.33 1.25 3.54 3.44 0.00 -1.26 -5.10 105.19 106.73 1x58 n GLY 4 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1x58 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x58 s SER 5 N -0.65 6.19 -0.02 1.61 0.01 -1.26 -5.05 113.70 114.53 1x58 s SER 5 Ca 0.00 -0.24 0.04 0.00 1.31 0.00 0.00 55.95 57.06 1x58 s SER 5 Cb 0.00 -2.20 -0.00 0.00 0.21 0.00 0.00 66.02 64.02 1x58 s SER 5 CO 0.00 -0.36 -0.13 -0.55 0.41 0.00 0.00 173.24 172.61 1x58 s SER 6 N 1.74 1.60 0.00 2.44 0.15 -1.26 -5.06 113.70 113.31 1x58 s SER 6 Ca 0.12 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1x58 s SER 6 Cb -0.16 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 1x58 s SER 6 CO 0.12 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.30 1x58 n GLY 7 N 3.03 3.38 0.00 9.45 0.00 -1.26 -5.09 105.19 114.69 1x58 n GLY 7 Ca -0.16 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1x58 n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x58 n ARG 8 N -0.88 0.49 -2.20 1.61 3.00 -1.26 -2.70 116.66 114.72 1x58 n ARG 8 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 1x58 n ARG 8 Cb 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 32.46 31.83 1x58 n ARG 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1x58 s LYS 9 N -1.34 2.88 0.00 -0.14 1.02 -1.26 -3.39 119.74 117.52 1x58 s LYS 9 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.16 1x58 s LYS 9 Cb 0.00 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 1x58 s LYS 9 CO 0.00 -0.84 0.00 -0.25 -0.92 0.00 0.00 175.35 173.34 1x58 n ASP 10 N -2.75 0.00 -3.85 2.83 9.92 -1.26 -4.39 116.55 117.04 1x58 n ASP 10 Ca 0.05 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.09 1x58 n ASP 10 Cb 0.57 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.89 1x58 n ASP 10 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1x58 s PHE 11 N 0.00 0.84 1.02 1.24 0.08 -1.26 -4.87 117.98 115.02 1x58 s PHE 11 Ca 0.00 -0.27 -0.11 0.00 0.12 0.00 0.00 56.93 56.66 1x58 s PHE 11 Cb 0.00 -0.80 0.20 0.00 -0.57 0.00 0.00 43.02 41.85 1x58 s PHE 11 CO 0.00 -0.29 1.09 0.95 -0.10 0.00 0.00 175.22 176.87 1x58 s THR 12 N 1.40 2.14 0.48 0.64 -4.23 -1.22 -4.12 115.64 110.74 1x58 s THR 12 Ca -0.03 0.05 0.20 0.00 -1.18 0.00 0.00 61.69 60.73 1x58 s THR 12 Cb -0.13 -2.14 0.37 0.00 1.34 0.00 0.00 72.50 71.93 1x58 s THR 12 CO -0.03 -0.06 1.98 0.50 -0.54 0.00 0.00 174.62 176.47 1x58 h LYS 13 N -2.15 0.19 0.07 3.99 1.63 -1.77 -1.51 116.57 117.01 1x58 h LYS 13 Ca -0.52 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.27 1x58 h LYS 13 Cb 1.30 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 1x58 h LYS 13 CO 0.47 0.12 -0.03 0.93 -3.45 0.00 0.00 179.45 177.49 1x58 h GLU 14 N 0.19 -0.09 -0.62 1.90 4.39 -1.90 -1.57 114.58 116.89 1x58 h GLU 14 Ca 0.28 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.93 1x58 h GLU 14 Cb 0.86 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.50 1x58 h GLU 14 CO -0.05 0.23 0.16 0.93 -1.16 0.00 0.00 179.01 179.12 1x58 h GLU 15 N -0.41 0.95 0.00 2.33 5.08 -1.68 -0.82 114.58 120.04 1x58 h GLU 15 Ca -0.01 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 1x58 h GLU 15 Cb 0.36 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1x58 h GLU 15 CO 0.02 0.84 -0.26 0.28 -1.00 0.00 0.00 179.01 178.88 1x58 h VAL 16 N 0.92 0.72 1.01 3.13 2.07 -1.29 -0.78 116.25 122.03 1x58 h VAL 16 Ca 0.20 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 1x58 h VAL 16 Cb 0.31 1.72 0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1x58 h VAL 16 CO -0.00 0.26 -0.49 -1.13 0.02 0.00 0.00 177.57 176.23 1x58 h ASN 17 N 0.00 -1.15 0.23 0.57 -0.73 -0.13 -3.15 115.58 111.22 1x58 h ASN 17 Ca -0.00 0.04 -0.04 0.00 1.87 0.00 0.00 56.30 58.17 1x58 h ASN 17 Cb 0.70 0.30 -0.01 0.00 0.27 0.00 0.00 38.32 39.58 1x58 h ASN 17 CO 0.03 -0.82 -0.17 1.88 -0.37 0.00 0.00 177.43 177.99 1x58 h TYR 18 N -1.36 0.00 0.51 0.67 0.05 -1.05 -1.09 116.97 114.70 1x58 h TYR 18 Ca -0.14 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.62 1x58 h TYR 18 Cb 1.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.77 1x58 h TYR 18 CO 0.00 0.17 -0.32 1.25 -1.05 0.00 0.00 178.16 178.21 1x58 h LEU 19 N 0.00 -0.80 -0.41 3.88 7.12 -1.17 0.18 115.31 124.12 1x58 h LEU 19 Ca -0.00 0.05 -0.09 0.00 0.13 0.00 0.00 57.88 57.96 1x58 h LEU 19 Cb 0.33 0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 1x58 h LEU 19 CO 0.02 -0.50 -0.10 -0.26 -0.13 0.00 0.00 178.44 177.47 1x58 h PHE 20 N -0.79 0.89 -0.90 1.25 -1.00 -1.44 -0.08 116.94 114.87 1x58 h PHE 20 Ca -0.06 -0.19 0.20 0.00 2.81 0.00 0.00 57.97 60.72 1x58 h PHE 20 Cb 0.64 -0.22 -0.07 0.00 3.61 0.00 0.00 35.95 39.92 1x58 h PHE 20 CO -0.10 0.92 0.59 1.25 -1.61 0.00 0.00 178.31 179.36 1x58 h HIS 21 N 0.61 0.60 0.01 -0.55 2.76 -1.05 -0.91 115.15 116.62 1x58 h HIS 21 Ca 0.10 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.13 1x58 h HIS 21 Cb 0.63 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 1x58 h HIS 21 CO 0.05 0.16 -0.88 0.78 -1.30 0.00 0.00 177.93 176.74 1x58 h GLY 22 N 0.45 0.02 1.34 5.26 0.00 -0.24 -3.34 103.07 106.56 1x58 h GLY 22 Ca 0.47 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 1x58 h GLY 22 CO -0.19 0.04 0.33 -2.08 0.00 0.00 0.00 176.54 174.64 1x58 h VAL 23 N -0.95 1.20 0.00 4.60 2.07 -0.88 0.83 116.25 123.11 1x58 h VAL 23 Ca -0.24 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 1x58 h VAL 23 Cb 1.24 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1x58 h VAL 23 CO -0.13 0.22 -0.15 0.50 0.02 0.00 0.00 177.57 178.03 1x58 h LYS 24 N 0.88 0.00 0.00 1.57 3.11 -1.32 0.34 116.57 121.15 1x58 h LYS 24 Ca 0.22 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.03 1x58 h LYS 24 Cb 0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.27 1x58 h LYS 24 CO -0.03 0.15 -0.87 -2.37 -2.81 0.00 0.00 179.45 173.52 1x58 n THR 25 N -4.12 1.47 0.17 1.00 5.66 -1.00 -4.66 114.28 112.80 1x58 n THR 25 Ca -0.02 0.14 0.03 0.00 -3.05 0.00 0.00 64.05 61.15 1x58 n THR 25 Cb 0.23 -2.33 0.29 0.00 -1.55 0.00 0.00 70.33 66.97 1x58 n THR 25 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1x58 h MET 26 N -1.00 0.00 0.00 1.09 2.86 -0.83 -3.50 114.93 113.55 1x58 h MET 26 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1x58 h MET 26 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1x58 h MET 26 CO -0.03 0.45 0.00 0.41 1.06 0.00 0.00 176.91 178.80 1x58 n GLY 27 N 0.10 -0.49 1.34 8.32 0.00 0.11 -4.52 105.19 110.05 1x58 n GLY 27 Ca -0.01 -1.10 -0.05 0.00 0.00 0.00 0.00 46.02 44.87 1x58 n GLY 27 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x58 n ASN 28 N -0.83 3.94 -4.53 1.61 3.02 -1.26 -4.36 115.26 112.85 1x58 n ASN 28 Ca 0.00 -2.39 -0.42 0.00 -0.03 0.00 0.00 54.58 51.74 1x58 n ASN 28 Cb 0.00 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 38.41 1x58 n ASN 28 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1x58 s HIS 29 N -0.60 2.49 -0.07 3.10 3.76 -1.26 -4.83 115.29 117.88 1x58 s HIS 29 Ca 0.10 -0.46 -0.24 0.00 -0.15 0.00 0.00 55.06 54.31 1x58 s HIS 29 Cb 0.08 -4.56 -0.29 0.00 1.11 0.00 0.00 32.58 28.93 1x58 s HIS 29 CO 0.01 -1.92 0.89 -1.49 -0.85 0.00 0.00 174.74 171.39 1x58 h TRP 30 N 9.79 0.38 -0.43 1.40 4.06 -1.90 -2.05 115.95 127.20 1x58 h TRP 30 Ca -0.12 -0.27 0.09 0.00 2.06 0.00 0.00 58.89 60.66 1x58 h TRP 30 Cb 1.04 -0.02 -0.09 0.00 -1.00 0.00 0.00 29.16 29.09 1x58 h TRP 30 CO 1.14 1.18 -0.23 -2.95 -3.56 0.00 0.00 178.44 174.03 1x58 h ASN 31 N -0.53 -0.77 0.15 -3.49 -1.07 -1.88 -0.22 115.58 107.78 1x58 h ASN 31 Ca -0.09 0.17 0.01 0.00 0.07 0.00 0.00 56.30 56.46 1x58 h ASN 31 Cb 1.39 0.40 -0.03 0.00 -2.07 0.00 0.00 38.32 38.02 1x58 h ASN 31 CO 0.10 -0.25 -0.26 0.28 0.07 0.00 0.00 177.43 177.37 1x58 h SER 32 N -0.14 -0.73 -0.61 6.14 0.02 -1.96 -2.80 113.55 113.46 1x58 h SER 32 Ca 0.21 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.33 1x58 h SER 32 Cb 0.46 0.27 -0.07 0.00 0.14 0.00 0.00 62.40 63.20 1x58 h SER 32 CO -0.52 -0.36 0.25 0.40 -1.14 0.00 0.00 176.83 175.46 1x58 h ILE 33 N -0.49 0.80 -0.12 3.27 2.04 -0.91 0.18 117.51 122.27 1x58 h ILE 33 Ca 0.02 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.76 1x58 h ILE 33 Cb 0.50 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1x58 h ILE 33 CO -0.13 0.08 0.26 0.25 0.00 0.00 0.00 178.15 178.61 1x58 h LEU 34 N 0.44 0.00 0.00 1.44 6.46 -0.77 -1.20 115.31 121.68 1x58 h LEU 34 Ca 0.31 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.81 1x58 h LEU 34 Cb 0.36 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.24 1x58 h LEU 34 CO -0.29 0.00 -1.96 0.79 -0.62 0.00 0.00 178.44 176.36 1x58 n TRP 35 N -3.33 0.00 0.22 1.25 8.01 -0.71 -4.56 117.44 118.32 1x58 n TRP 35 Ca 0.00 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.26 1x58 n TRP 35 Cb 0.35 -0.67 0.58 0.00 -2.01 0.00 0.00 31.31 29.56 1x58 n TRP 35 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 1x58 h SER 36 N 0.00 0.05 -4.58 -0.99 0.87 0.25 -3.43 113.55 105.72 1x58 h SER 36 Ca -0.38 -0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 59.86 1x58 h SER 36 Cb 1.73 -0.01 -0.20 0.00 -0.44 0.00 0.00 62.40 63.48 1x58 h SER 36 CO -0.02 0.09 -0.74 -0.36 -0.53 0.00 0.00 176.83 175.27 1x58 s PHE 37 N -5.01 0.92 -0.45 2.24 0.40 -0.54 -5.05 117.98 110.49 1x58 s PHE 37 Ca -0.05 -0.56 -0.29 0.00 -0.60 0.00 0.00 56.93 55.43 1x58 s PHE 37 Cb 0.17 -0.53 0.02 0.00 0.51 0.00 0.00 43.02 43.19 1x58 s PHE 37 CO 0.68 -0.03 1.20 -1.25 0.70 0.00 0.00 175.22 176.52 1x58 s PRO 38 N -2.08 3.72 0.42 0.24 0.04 -1.26 -4.68 135.00 131.40 1x58 s PRO 38 Ca -0.03 0.69 0.07 0.00 0.04 0.00 0.00 61.00 61.78 1x58 s PRO 38 Cb -0.07 -3.92 -0.03 0.00 0.04 0.00 0.00 34.50 30.52 1x58 s PRO 38 CO 0.00 -1.39 0.30 -0.06 0.04 0.00 0.00 177.00 175.89 1x58 s PHE 39 N 4.61 2.59 0.94 0.56 0.08 -1.26 -4.82 117.98 120.68 1x58 s PHE 39 Ca 0.51 -0.56 -0.11 0.00 0.12 0.00 0.00 56.93 56.89 1x58 s PHE 39 Cb -0.09 -2.07 0.14 0.00 -0.57 0.00 0.00 43.02 40.43 1x58 s PHE 39 CO 0.31 -0.02 1.00 1.04 -0.10 0.00 0.00 175.22 177.45 1x58 n GLN 40 N -1.43 -0.53 -2.12 0.44 6.02 -1.26 -4.95 117.38 113.55 1x58 n GLN 40 Ca 0.01 -0.09 -0.41 0.00 -0.01 0.00 0.00 57.00 56.50 1x58 n GLN 40 Cb 0.63 -2.27 -0.02 0.00 1.02 0.00 0.00 30.24 29.60 1x58 n GLN 40 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1x58 s LYS 41 N -4.44 4.35 0.00 -1.09 3.01 -1.26 -3.11 119.74 117.20 1x58 s LYS 41 Ca 0.65 2.20 0.00 0.00 -1.01 0.00 0.00 55.97 57.81 1x58 s LYS 41 Cb -0.23 -3.09 0.00 0.00 -1.01 0.00 0.00 37.83 33.50 1x58 s LYS 41 CO 0.60 -0.22 0.00 0.41 0.51 0.00 0.00 175.35 176.65 1x58 n GLY 42 N 1.18 0.32 3.70 -3.33 0.00 -1.26 -5.00 105.19 100.80 1x58 n GLY 42 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1x58 n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x58 s ARG 43 N -0.86 1.45 0.28 1.61 1.81 -1.18 -5.06 118.95 117.01 1x58 s ARG 43 Ca 0.00 1.58 0.09 0.00 -1.72 0.00 0.00 55.73 55.68 1x58 s ARG 43 Cb 0.00 -1.77 -0.04 0.00 -0.45 0.00 0.00 34.95 32.68 1x58 s ARG 43 CO 0.00 -2.32 0.04 1.03 -0.68 0.00 0.00 175.30 173.38 1x58 s ARG 44 N -4.46 2.35 0.40 3.54 0.52 -1.26 -5.03 118.95 115.00 1x58 s ARG 44 Ca 0.68 -1.44 0.09 0.00 -0.52 0.00 0.00 55.73 54.55 1x58 s ARG 44 Cb -0.24 -2.18 0.87 0.00 0.52 0.00 0.00 34.95 33.92 1x58 s ARG 44 CO 0.54 0.30 1.98 0.00 0.02 0.00 0.00 175.30 178.14 1x58 h ALA 45 N 1.78 1.83 0.00 2.13 0.00 -1.95 -1.56 119.26 121.49 1x58 h ALA 45 Ca -0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1x58 h ALA 45 Cb 1.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1x58 h ALA 45 CO 0.61 0.05 -0.03 -0.39 0.00 0.00 0.00 179.25 179.49 1x58 h VAL 46 N 0.59 0.53 -0.25 0.00 -1.51 -1.96 -0.90 116.25 112.76 1x58 h VAL 46 Ca 0.28 -0.13 -0.05 0.00 -1.23 0.00 0.00 66.70 65.58 1x58 h VAL 46 Cb 0.35 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 1x58 h VAL 46 CO -0.09 0.03 -0.07 0.44 -1.23 0.00 0.00 177.57 176.65 1x58 h ASP 47 N 0.00 0.37 -0.26 4.19 3.32 -1.69 0.20 116.42 122.55 1x58 h ASP 47 Ca -0.00 -0.07 -0.17 0.00 0.02 0.00 0.00 57.03 56.81 1x58 h ASP 47 Cb 0.08 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1x58 h ASP 47 CO 0.00 0.49 -0.50 -0.07 -1.72 0.00 0.00 179.24 177.44 1x58 h LEU 48 N 0.38 0.88 0.21 1.55 3.38 -1.29 -2.47 115.31 117.95 1x58 h LEU 48 Ca 0.08 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1x58 h LEU 48 Cb 0.36 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1x58 h LEU 48 CO 0.02 1.26 -0.10 0.00 0.09 0.00 0.00 178.44 179.71 1x58 h ALA 49 N 0.65 -0.28 0.35 1.53 0.00 -1.35 -3.18 119.26 116.97 1x58 h ALA 49 Ca 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1x58 h ALA 49 Cb 1.11 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1x58 h ALA 49 CO 0.11 -0.60 -0.17 1.25 0.00 0.00 0.00 179.25 179.84 1x58 h HIS 50 N -0.39 -0.45 -0.68 0.00 -0.00 -0.54 0.17 115.15 113.27 1x58 h HIS 50 Ca -0.03 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.26 1x58 h HIS 50 Cb 0.30 0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.83 1x58 h HIS 50 CO -0.03 -0.28 0.15 -0.22 -0.00 0.00 0.00 177.93 177.56 1x58 h LYS 51 N -0.48 1.09 0.13 5.26 1.63 -1.57 -1.19 116.57 121.45 1x58 h LYS 51 Ca -0.05 -0.27 0.01 0.00 -0.85 0.00 0.00 60.65 59.50 1x58 h LYS 51 Cb 0.37 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1x58 h LYS 51 CO 0.07 0.98 -0.20 -0.92 -3.45 0.00 0.00 179.45 175.93 1x58 h TYR 52 N 1.02 -0.52 -0.52 1.91 3.20 -1.48 0.20 116.97 120.77 1x58 h TYR 52 Ca 0.21 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.17 1x58 h TYR 52 Cb 0.38 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.80 1x58 h TYR 52 CO 0.03 -0.29 0.13 0.45 -1.64 0.00 0.00 178.16 176.84 1x58 h HIS 53 N -0.39 0.21 -0.52 -3.82 3.86 -0.63 0.81 115.15 114.67 1x58 h HIS 53 Ca 0.02 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 1x58 h HIS 53 Cb 0.40 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 1x58 h HIS 53 CO -0.18 0.02 0.11 0.00 0.86 0.00 0.00 177.93 178.74 1x58 h ARG 54 N 0.28 0.84 0.34 2.45 2.47 -0.90 -2.49 114.38 117.37 1x58 h ARG 54 Ca 0.26 -0.21 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 1x58 h ARG 54 Cb 0.34 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1x58 h ARG 54 CO -0.32 0.81 -0.16 -0.07 0.56 0.00 0.00 179.97 180.80 1x58 h LEU 55 N 0.73 -0.38 -1.31 3.04 3.38 0.60 0.08 115.31 121.45 1x58 h LEU 55 Ca 0.16 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1x58 h LEU 55 Cb 0.36 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1x58 h LEU 55 CO 0.00 -0.23 0.40 0.16 0.09 0.00 0.00 178.44 178.86 1x58 h ILE 56 N -0.51 1.18 0.85 1.22 3.07 -0.93 -2.62 117.51 119.77 1x58 h ILE 56 Ca -0.05 -0.37 -0.04 0.00 1.55 0.00 0.00 64.86 65.95 1x58 h ILE 56 Cb 0.38 0.25 0.00 0.00 -0.27 0.00 0.00 36.82 37.19 1x58 h ILE 56 CO 0.08 0.18 -0.46 0.28 -1.05 0.00 0.00 178.15 177.18 1x58 h SER 57 N 0.89 -1.13 -4.82 2.16 0.02 -1.24 -3.50 113.55 105.93 1x58 h SER 57 Ca 0.23 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1x58 h SER 57 Cb -0.05 0.31 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1x58 h SER 57 CO -0.05 -0.74 0.00 0.61 -1.14 0.00 0.00 176.83 175.51 1x58 n GLY 58 N -1.61 0.64 0.10 -3.77 0.00 -0.00 -4.84 105.19 95.70 1x58 n GLY 58 Ca -0.15 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.50 1x58 n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x58 h PRO 59 N 8.64 0.21 -5.05 1.61 0.13 -1.88 -3.38 132.00 132.28 1x58 h PRO 59 Ca 0.00 -0.08 -0.70 0.00 -0.87 0.00 0.00 66.00 64.36 1x58 h PRO 59 Cb 0.00 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 31.04 1x58 h PRO 59 CO 0.00 0.49 2.50 -1.13 -0.23 0.00 0.00 178.00 179.63 1x58 n SER 60 N -4.77 4.57 -0.91 1.44 3.41 -1.26 -4.91 113.62 111.19 1x58 n SER 60 Ca -0.06 -2.90 0.01 0.00 -0.26 0.00 0.00 58.87 55.66 1x58 n SER 60 Cb 0.22 -1.70 -0.00 0.00 -0.26 0.00 0.00 64.21 62.47 1x58 n SER 60 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x58 n SER 61 N 7.27 -5.43 -0.28 4.04 2.88 -1.26 -5.14 113.62 115.70 1x58 n SER 61 Ca 0.49 0.08 0.04 0.00 -1.33 0.00 0.00 58.87 58.15 1x58 n SER 61 Cb 0.43 -0.22 0.03 0.00 -0.75 0.00 0.00 64.21 63.70 1x58 n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42